BULK MODULUS OF THE C-60 MOLECULE VIA THE TIGHT-BINDING METHOD

被引：40

作者：

WOO, SJ

LEE, SH

KIM, E

LEE, KH

LEE, YH

HWANG, SY

JEON, IC

机构：

[1] JEONBUG NATL UNIV,DEPT PHYS,CHONJU 560756,SOUTH KOREA

[2] JEONBUG NATL UNIV,DEPT CHEM,CHONJU 560756,SOUTH KOREA

[3] JEONBUG NATL UNIV,SEMICOND PHYS RES CTR,CHONJU 560756,SOUTH KOREA

来源：

PHYSICS LETTERS A | 1992年 / 162卷 / 06期

关键词：

D O I：

10.1016/0375-9601(92)90014-D

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The bulk modulus for the C60 molecule is calculated using total energy minimization via the tight binding method. The calculated bulk modulus is 717 GPa, which is about 1.6 times larger than that of bulk diamond due to the high symmetry of the C60 molecule; a possible explanation is given. This result is compared to a simple estimation from elasticity theory. Electronic structures and vibrational frequencies are also compared to theoretical and experimental results.

引用

页码：501 / 505

页数：5

共 19 条

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